(2R,3R,4R,5R)-2-(hydroxymethyl)-5-(1-methylpyrazol-4-yl)oxane-3,4-diol

C10H16N2O4 — CID 166681919

IUPAC(2R,3R,4R,5R)-2-(hydroxymethyl)-5-(1-methylpyrazol-4-yl)oxane-3,4-diol
SMILESCn1cc([C@@H]2CO[C@H](CO)[C@H](O)[C@@H]2O)cn1
InChIInChI=1S/C10H16N2O4/c1-12-3-6(2-11-12)7-5-16-8(4-13)10(15)9(7)14/h2-3,7-10,13-15H,4-5H2,1H3/t7-,8+,9+,10-/m0/s1
InChIKeyZVLAXFVFQOCXPY-JLIMGVALSA-N
MW228.25 g/mol
LogP-1.38
Rot. Bonds2

About (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(1-methylpyrazol-4-yl)oxane-3,4-diol

(2R,3R,4R,5R)-2-(hydroxymethyl)-5-(1-methylpyrazol-4-yl)oxane-3,4-diol (PubChem CID 166681919) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(1-methylpyrazol-4-yl)oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-2-(hydroxymethyl)-5-(1-methylpyrazol-4-yl)oxane-3,4-diol
PubChem CID166681919
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name(2R,3R,4R,5R)-2-(hydroxymethyl)-5-(1-methylpyrazol-4-yl)oxane-3,4-diol
SMILESCn1cc([C@@H]2CO[C@H](CO)[C@H](O)[C@@H]2O)cn1
InChIInChI=1S/C10H16N2O4/c1-12-3-6(2-11-12)7-5-16-8(4-13)10(15)9(7)14/h2-3,7-10,13-15H,4-5H2,1H3/t7-,8+,9+,10-/m0/s1
InChIKeyZVLAXFVFQOCXPY-JLIMGVALSA-N
XLogP-1.38
TPSA87.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-1.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(1-methylpyrazol-4-yl)oxane-3,4-diol?
The IUPAC name of (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(1-methylpyrazol-4-yl)oxane-3,4-diol (CID 166681919) is (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(1-methylpyrazol-4-yl)oxane-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(1-methylpyrazol-4-yl)oxane-3,4-diol?
The canonical SMILES for (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(1-methylpyrazol-4-yl)oxane-3,4-diol is Cn1cc([C@@H]2CO[C@H](CO)[C@H](O)[C@@H]2O)cn1.
What is the InChIKey of (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(1-methylpyrazol-4-yl)oxane-3,4-diol?
The InChIKey is ZVLAXFVFQOCXPY-JLIMGVALSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-12-3-6(2-11-12)7-5-16-8(4-13)10(15)9(7)14/h2-3,7-10,13-15H,4-5H2,1H3/t7-,8+,9+,10-/m0/s1.
What are the key properties of (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(1-methylpyrazol-4-yl)oxane-3,4-diol?
(2R,3R,4R,5R)-2-(hydroxymethyl)-5-(1-methylpyrazol-4-yl)oxane-3,4-diol has a molecular weight of 228.25 g/mol, XLogP of -1.38, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(1-methylpyrazol-4-yl)oxane-3,4-diol is sourced from PubChem (CID 166681919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).